Geometry & MOs

Info

ID:	176132
PubChem CID:	76000263
Reduced:	SO2N5C19H29 (1)
Stoich.:	AB2C5D19E29 (1)
Weight, g/mol:	417.219846
ΔH_f, kcal/mol:	-36.13
Dipole, Da:	3.26
IP(EA), eV:	-8.56(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[cyclohexyl(methyl)amino]propyl]-2-(12-methyl-9-oxo-5-thia-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,11-trien-10-yl)acetamide

Drug info:

PubChemData

Smile

CCCCN(C)CCCNC(=O)CN1C(=O)C2CC3=C(N2C(=N1)C)C=CS3

DOS

IR

Vibrations